==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DESIGNED PEPTIDE 29-OCT-97 1PSV . COMPND 2 MOLECULE: PDA8D; . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.I.DAHIYAT,C.A.SARISKY,S.L.MAYO . 28 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2812.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 15 53.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 1 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A K 0 0 224 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 84.4 12.1 -9.9 -2.3 2 2 A P - 0 0 76 0, 0.0 11,-0.2 0, 0.0 9,-0.1 -0.366 360.0 -88.0 -71.6 151.7 9.1 -8.5 -0.4 3 3 A Y B -A 12 0A 71 9,-1.5 9,-0.6 8,-0.1 11,-0.0 0.062 39.4-172.8 -51.4 169.9 7.2 -5.6 -1.9 4 4 A T - 0 0 73 7,-0.3 -1,-0.1 -3,-0.1 5,-0.1 -0.204 5.1-164.5-167.4 64.9 8.3 -2.0 -1.1 5 5 A A >> - 0 0 6 1,-0.2 2,-3.2 3,-0.0 3,-0.9 -0.219 38.1-107.8 -54.0 143.3 6.0 0.8 -2.4 6 6 A R T 34 S+ 0 0 220 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 -0.313 98.4 91.9 -71.9 64.6 7.8 4.2 -2.4 7 7 A I T 34 S- 0 0 46 -2,-3.2 -1,-0.2 0, 0.0 -2,-0.0 0.648 107.7 -23.4-125.7 -41.0 5.7 5.4 0.6 8 8 A K T <4 S- 0 0 146 -3,-0.9 -2,-0.1 0, 0.0 -3,-0.0 0.283 78.2-105.5-159.6 10.7 7.6 4.6 3.8 9 9 A G S < S+ 0 0 64 -4,-0.8 -3,-0.1 1,-0.1 -4,-0.0 0.813 80.5 134.4 60.8 22.9 10.1 1.7 3.1 10 10 A R - 0 0 137 -5,-0.3 -1,-0.1 2,-0.0 -4,-0.1 0.770 51.4-151.0 -75.2 -26.0 7.5 -0.3 5.1 11 11 A T - 0 0 55 -6,-0.3 2,-0.4 1,-0.1 -7,-0.3 0.357 5.3-131.7 64.9 149.6 7.7 -3.2 2.5 12 12 A F B -A 3 0A 14 -9,-0.6 -9,-1.5 1,-0.1 -1,-0.1 -0.978 12.5-143.5-142.7 129.8 4.6 -5.3 2.1 13 13 A S S S+ 0 0 96 -2,-0.4 2,-0.3 -11,-0.2 -1,-0.1 0.780 93.6 17.5 -59.9 -23.7 4.1 -9.1 2.0 14 14 A N >> - 0 0 90 1,-0.1 4,-1.4 -3,-0.1 3,-0.9 -0.996 65.9-132.5-151.3 145.4 1.5 -8.6 -0.7 15 15 A E H 3> S+ 0 0 124 -2,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.808 106.7 69.4 -65.8 -25.4 0.3 -5.8 -3.1 16 16 A K H 3> S+ 0 0 167 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.884 101.8 45.5 -60.6 -33.7 -3.2 -6.5 -1.9 17 17 A E H <> S+ 0 0 93 -3,-0.9 4,-2.2 1,-0.2 5,-0.2 0.864 103.5 63.2 -76.8 -35.1 -2.1 -5.0 1.4 18 18 A L H X S+ 0 0 5 -4,-1.4 4,-3.1 1,-0.2 5,-0.2 0.893 94.4 63.2 -57.3 -37.0 -0.4 -2.1 -0.4 19 19 A R H X S+ 0 0 186 -4,-1.8 4,-1.7 2,-0.2 3,-0.2 0.975 106.1 42.4 -51.4 -58.2 -3.9 -1.0 -1.7 20 20 A D H X S+ 0 0 134 -4,-0.9 4,-0.8 1,-0.3 3,-0.3 0.916 116.9 48.4 -56.0 -41.5 -5.1 -0.3 1.8 21 21 A F H < S+ 0 0 38 -4,-2.2 3,-0.3 1,-0.2 -1,-0.3 0.834 106.6 58.0 -69.0 -28.3 -1.8 1.3 2.6 22 22 A L H >X S+ 0 0 63 -4,-3.1 3,-1.4 -5,-0.2 4,-0.9 0.827 92.6 67.7 -71.0 -28.8 -2.2 3.3 -0.7 23 23 A E H 3<>S+ 0 0 90 -4,-1.7 5,-1.2 1,-0.3 2,-0.4 0.906 102.3 47.4 -58.4 -36.1 -5.5 4.7 0.6 24 24 A T T 3<5S+ 0 0 92 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.1 -0.260 100.9 73.8 -97.5 46.6 -3.4 6.6 3.2 25 25 A F T <45S+ 0 0 84 -3,-1.4 -2,-0.2 -2,-0.4 -1,-0.2 0.641 109.9 15.3-122.8 -47.7 -0.9 7.8 0.5 26 26 A T T <5S- 0 0 119 -4,-0.9 -2,-0.1 -3,-0.2 -3,-0.1 0.035 110.5 -97.2-119.8 25.8 -2.8 10.5 -1.5 27 27 A G T 5 0 0 71 -4,-0.2 -3,-0.2 -5,-0.1 -4,-0.1 0.896 360.0 360.0 62.2 37.4 -5.6 11.2 1.0 28 28 A R < 0 0 228 -5,-1.2 -4,-0.1 -6,-0.3 -5,-0.1 0.986 360.0 360.0 -60.5 360.0 -7.9 8.9 -1.0